SCHEMBL22891786

SCHEMBL22891786

Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C(=O)OCOC(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
ERAP1 Q9NZ08 1/20 0.46
MCL1 Q07820 2/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 3/20 0.42
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29669997 1.00 NPSR1 (0.49) NPSR1ERAP1MCL1GAALMNA
SCHEMBL23022352 0.86 CYP2C9 (0.57) NPSR1ERAP1MCL1GAALMNA
SCHEMBL22891787 0.82 NPSR1 (0.49) NPSR1ERAP1MCL1GAALMNA
SCHEMBL22653516 0.81 ERAP1 (0.66) ERAP1MCL1GAALMNAPOLB
SCHEMBL22891783 0.79 TAS2R14 (0.40) NPSR1GAALMNASMN1; SMN2ALDH1A1
SCHEMBL22891790 0.79 HTT (0.44) NPSR1GAAALDH1A1KMT2AHTT
SCHEMBL29670040 0.79 HTT (0.44) NPSR1GAAALDH1A1KMT2AHTT
SCHEMBL395600 0.75 HIF1A (0.61) NPSR1GAALMNAPOLBSMN1; SMN2
SCHEMBL7458365 0.73 MEN1 (0.64) ERAP1GAAKMT2AMEN1
SCHEMBL7578595 0.72 NPSR1 (0.72) NPSR1GAALMNAPOLBHSD17B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021007474-A1 PHENYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC (US) 2021-01-14 WO disclosed